2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide

C13H19ClN2O2 — CID 113379837

IUPAC2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
SMILESCOCCN(C)C(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C13H19ClN2O2/c1-9(2)11-7-10(8-12(14)15-11)13(17)16(3)5-6-18-4/h7-9H,5-6H2,1-4H3
InChIKeyRJQOICHRNRPBRP-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.58
Rot. Bonds5

About 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 113379837) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
PubChem CID113379837
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
SMILESCOCCN(C)C(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C13H19ClN2O2/c1-9(2)11-7-10(8-12(14)15-11)13(17)16(3)5-6-18-4/h7-9H,5-6H2,1-4H3
InChIKeyRJQOICHRNRPBRP-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide
CID 103338650
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
CID 113379836
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379790
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113475573
2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 106153622
2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide (CID 113379837) is 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide is COCCN(C)C(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is RJQOICHRNRPBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)11-7-10(8-12(14)15-11)13(17)16(3)5-6-18-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 113379837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).